[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl] ester Formula: C20H17Br2N3O5 MolecularWeight: 539.17408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CC(=C3O)Br)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CC(=C3O)Br)Br

InChI

InChI=1S/C20H17Br2N3O5/c1-11-17(19(28)25(24(11)2)13-6-4-3-5-7-13)23-16(26)10-30-20(29)14-8-12(21)9-15(22)18(14)27/h3-9,27H,10H2,1-2H3,(H,23,26)